Crystal structure of an aryl cyclo-hexyl nona-noid, an anti-proliferative mol-ecule isolated from the spice Myristica malabarica.

ABSTRACT: The title compound, C₂₁H₂₆O₅, an aryl cyclo-hexyl nona-noid {systematic name: 3,5-dihy-droxy-2-[9-(4-hy-droxy-phen-yl)nona-noyl]cyclo-hexa-2,4-dien-1-one}, extracted from the spice plant Myristica malabarica comprises two ring components, a 4-hy-droxy-phenyl moiety and a 3,5-di-hydroxy-cyclo-hexa-2,4-dienone moiety linked by a nona-noyl chain. The mol-ecule has an extended essentially planar conformation stabilized by an intra-molecular hy-droxy O-H?O_carbon-yl hydrogen bond, giving a dihedral angle between the two ring systems of 6.37?(15)°. The C, O and H atoms associated with one of the hy-droxy groups of the cyclo-hexa-dienone component are disordered over two sets of sites with site occupancies of 0.6972 and 0.3028. In the crystal, hy-droxy O-H?O hydrogen bonds to carbonyl O-atom acceptors form large centrosymmetric R₂²(36) cyclic dimers, which are further extended into supra-molecular one-dimensional ribbon structures along [1-11].

SUBMITTER: Bauri AK 

PROVIDER: S-EPMC5050765 | biostudies-literature | 2016 Oct

REPOSITORIES: biostudies-literature